A0876/0041102
TL;DR: A0876/0041102 (CAS 310459-37-1) is a chemical compound with molecular formula C20H12Br2N2O2S and molecular weight 501.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]iminomethyl]-4,6-dibromophenol
Also Known As: A0876/0041102, F0317-0369, (E)-2-(((3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)imino)methyl)-4,6-dibromophenol, 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]phenol, 2-[(Z)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]imino}methyl]-4,6-dibromophenol
| Molecular Formula | C20H12Br2N2O2S |
|---|---|
| Molecular Weight | 501.90 g/mol |
| LogP | 6.6501 |
| Topological Polar Surface Area | 65.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 501.89862 |
| Heavy Atoms | 27 |
| Complexity | 1155.0393 |
Chemical Identifiers
| CAS Number | 310459-37-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)N=CC4=C(C(=CC(=C4)Br)Br)O)O |
Product Overview
A0876/0041102 (CAS 310459-37-1), with molecular formula C20H12Br2N2O2S and molecular weight 501.90 g/mol. IUPAC: 2-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]iminomethyl]-4,6-dibromophenol.
Chemical Property Profile of A0876/0041102
Property Insights of A0876/0041102
The XLogP value of 6.6501 indicates that A0876/0041102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.71 Ų falls within the moderate polarity range, balancing permeability and solubility for A0876/0041102. Following Lipinski's Rule of Five, A0876/0041102 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0876/0041102?
The CAS number of A0876/0041102 is 310459-37-1.
What is the molecular formula of A0876/0041102?
The molecular formula of A0876/0041102 is C20H12Br2N2O2S.
What is the molecular weight of A0876/0041102?
The molecular weight of A0876/0041102 is 501.90 g/mol.
Where can I buy A0876/0041102?
You can request a quote for A0876/0041102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0876/0041102?
Yes, KEHONG BIO provides custom synthesis services for A0876/0041102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.